From 480810b9e73f3d1a975e7e86f5872e68611acaed Mon Sep 17 00:00:00 2001 From: Aakash Ashok Naik <91958822+naik-aakash@users.noreply.github.com> Date: Tue, 5 Nov 2024 17:23:10 +0100 Subject: [PATCH] add missing optional files to the list --- src/custodian/lobster/jobs.py | 9 ++++++++- 1 file changed, 8 insertions(+), 1 deletion(-) diff --git a/src/custodian/lobster/jobs.py b/src/custodian/lobster/jobs.py index 65f16c3b..6c31f946 100644 --- a/src/custodian/lobster/jobs.py +++ b/src/custodian/lobster/jobs.py @@ -20,8 +20,10 @@ LOBSTERINPUT_FILES = ["lobsterin"] LOBSTEROUTPUT_FILES = [ - "lobsterout", + "BWDF.lobster", + "BWDFCOHP.lobster", "CHARGE.lobster", + "CHARGE.LCFO.lobster", "COBICAR.lobster", "COBICAR.LCFO.lobster" "COHPCAR.lobster", @@ -32,6 +34,7 @@ "DOSCAR.LCFO.lobster", "DOSCAR.LSO.lobster", "GROSSPOP.lobster", + "GROSSPOP.LCFO.lobster", "ICOBILIST.lobster", "ICOBILIST.LCFO.lobster", "ICOHPLIST.lobster", @@ -39,9 +42,13 @@ "ICOOPLIST.lobster", "ICOOPLIST.LCFO.lobster", "IMOFELIST.lobster", + "LCFO_Fragments.lobster", + "lobsterout", "lobster.out", "projectionData.lobster", "POLARIZATION.lobster", + "POSCAR.lobster", + "POSCAR.lobster.vasp", "MadelungEnergies.lobster", "MOFECAR.lobster", "SitePotentials.lobster",